Chemistry involves the study of all things chemical – chemical processes, chemical compositions and chemical manipulation – in order to better understand the way in which materials are structured, how they change and how they react in certain situations. COA of Formula: CCuNS, Name is Cuprous thiocyanate, belongs to copper-catalyst compound, is a common compound. COA of Formula: CCuNSIn an article, authors is Zarca, Gabriel, once mentioned the new application about COA of Formula: CCuNS.
For the first time, a theoretical semipredictive approach based on the soft-Statistical Associating Fluid Theory equation of state is presented to model the complexation reaction between carbon monoxide (CO) in a combined ionic liquid (IL) plus a copper(I) metallic salt media in terms of the gas solubility as a function of temperature, pressure, and composition. Two different degrees of molecular approximation are tested. In the first approach, the IL-metal salt mixture is treated as a single compound whose parameters are modified according to the concentration of the metallic salt. In the second approach, both compounds are treated as independent species, enhancing the predictive capability of the model. The complexation between CO molecules and the metal salt is reproduced by adding specific cross-association interaction sites that simulate the reaction. The density of the doped IL and the CO solubility are described in quantitative agreement with the experimental data at different operating conditions.
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Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”